Information card for entry 4307644

Structure parameters

• Formula: C64 H60 Cl4 Cu4 N12 O2
• Calculated formula: C64 H60 Cl4 Cu4 N12 O2
• SMILES: C1[N]23Cc4cccc[n]4[Cu]2([n]2ccccc12)([O]1c2c(C3)cc(cc2C[N]23Cc4cccc[n]4[Cu]13([n]1c(C2)cccc1)Cl)c1cc2C[N]34Cc5cccc[n]5[Cu]4([n]4c(C3)cccc4)([O]3c2c(C[N]24Cc5cccc[n]5[Cu]34([n]3c(C2)cccc3)Cl)c1)Cl)Cl
• Title of publication: Functional Tetrametallic Linker Modules for Coordination Polymers and Metal-Organic Frameworks
• Authors of publication: Frank B. Johansson; Andrew D. Bond; Christine J. McKenzie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2224 - 2236
• a: 11.869 ± 0.003 Å
• b: 27.292 ± 0.005 Å
• c: 12.241 ± 0.004 Å
• α: 90°
• β: 105.34 ± 0.03°
• γ: 90°
• Cell volume: 3823.9 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.897 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No